5-bromanyl-2-methoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C24H22BrN3O3S MolecularWeight: 512.41878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H22BrN3O3S/c1-31-21-13-8-17(25)15-20(21)23(30)28-24(32)27-19-11-9-18(10-12-19)26-22(29)14-7-16-5-3-2-4-6-16/h2-6,8-13,15H,7,14H2,1H3,(H,26,29)(H2,27,28,30,32)